1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

C15H23FN2O2S — CID 113072902

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H23FN2O2S/c1-12(2)11-17-6-8-18(9-7-17)21(19,20)15-5-4-14(16)10-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeySFQQUFGGNANWHU-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine

1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine (PubChem CID 113072902) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
PubChem CID113072902
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H23FN2O2S/c1-12(2)11-17-6-8-18(9-7-17)21(19,20)15-5-4-14(16)10-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeySFQQUFGGNANWHU-UHFFFAOYSA-N
XLogP2.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 110709179
2-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395949
5-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]sulfonylaniline
CID 61138407
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113075851
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243
1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113076048
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine (CID 113072902) is 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine is Cc1cc(F)ccc1S(=O)(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
The InChIKey is SFQQUFGGNANWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-12(2)11-17-6-8-18(9-7-17)21(19,20)15-5-4-14(16)10-13(15)3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine?
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine has a molecular weight of 314.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 113072902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).